5-chloro-2-fluoro-N-methylsulfonyl-4-(oxan-4-ylmethoxy)benzamide

C14H17ClFNO5S — CID 171343351

IUPAC5-chloro-2-fluoro-N-methylsulfonyl-4-(oxan-4-ylmethoxy)benzamide
SMILESCS(=O)(=O)NC(=O)c1cc(Cl)c(OCC2CCOCC2)cc1F
InChIInChI=1S/C14H17ClFNO5S/c1-23(19,20)17-14(18)10-6-11(15)13(7-12(10)16)22-8-9-2-4-21-5-3-9/h6-7,9H,2-5,8H2,1H3,(H,17,18)
InChIKeyQBBOBHHQEXVYSN-UHFFFAOYSA-N
MW365.81 g/mol
LogP1.97
Rot. Bonds5

About 5-chloro-2-fluoro-N-methylsulfonyl-4-(oxan-4-ylmethoxy)benzamide

5-chloro-2-fluoro-N-methylsulfonyl-4-(oxan-4-ylmethoxy)benzamide (PubChem CID 171343351) has the molecular formula C14H17ClFNO5S and a molecular weight of 365.81 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-methylsulfonyl-4-(oxan-4-ylmethoxy)benzamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-methylsulfonyl-4-(oxan-4-ylmethoxy)benzamide
PubChem CID171343351
Molecular FormulaC14H17ClFNO5S
Molecular Weight365.81 g/mol
Exact Mass365.05
IUPAC Name5-chloro-2-fluoro-N-methylsulfonyl-4-(oxan-4-ylmethoxy)benzamide
SMILESCS(=O)(=O)NC(=O)c1cc(Cl)c(OCC2CCOCC2)cc1F
InChIInChI=1S/C14H17ClFNO5S/c1-23(19,20)17-14(18)10-6-11(15)13(7-12(10)16)22-8-9-2-4-21-5-3-9/h6-7,9H,2-5,8H2,1H3,(H,17,18)
InChIKeyQBBOBHHQEXVYSN-UHFFFAOYSA-N
XLogP1.97
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.81
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(adamantan-1-ylmethoxy)-5-chloro-2-fluoro-N-(methylsulfonyl)benzamide
CID 72545669
4-(adamantan-1-ylmethoxy)-3-chloro-N-(methylsulfonyl)benzamide
CID 86702832
5-chloro-4-((4,4-difluoroadamantan-1-yl)methoxy)-2-fluoro-N-(methylsulfonyl)benzamide
CID 86702863
5-chloro-4-(cyclohexylmethoxy)-2-fluoro-N-(methylsulfonyl)benzamide
CID 86703483
5-Chloro-2-fluoro-N-(methylsulfonyl)-4-((3,5,7-trifluoroadamantan-1-yl)methoxy)benzamide
CID 86703576
5-chloro-2-fluoro-4-[(3-fluoro-1-adamantyl)methoxy]-N-methylsulfonylbenzamide
CID 90017117
5-chloro-4-(2-cyclopropylethoxy)-2-fluoro-N-methylsulfonylbenzamide
CID 91809330
5-chloro-4-(2-cyclohexylethoxy)-2-fluoro-N-methylsulfonylbenzamide
CID 91809338
5-chloro-4-(cyclopentylmethoxy)-2-fluoro-N-methylsulfonylbenzamide
CID 91809353
5-chloro-4-cyclohexyloxy-2-fluoro-N-methylsulfonylbenzamide
CID 91809365
5-chloro-2-fluoro-4-[(3-hydroxy-1-adamantyl)methoxy]-N-methylsulfonylbenzamide
CID 91809335
4-(adamantan-2-yloxy)-5-chloro-2-fluoro-N-(methylsulfonyl)benzamide
CID 72545670

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-methylsulfonyl-4-(oxan-4-ylmethoxy)benzamide?
The IUPAC name of 5-chloro-2-fluoro-N-methylsulfonyl-4-(oxan-4-ylmethoxy)benzamide (CID 171343351) is 5-chloro-2-fluoro-N-methylsulfonyl-4-(oxan-4-ylmethoxy)benzamide.
What is the SMILES notation for 5-chloro-2-fluoro-N-methylsulfonyl-4-(oxan-4-ylmethoxy)benzamide?
The canonical SMILES for 5-chloro-2-fluoro-N-methylsulfonyl-4-(oxan-4-ylmethoxy)benzamide is CS(=O)(=O)NC(=O)c1cc(Cl)c(OCC2CCOCC2)cc1F.
What is the InChIKey of 5-chloro-2-fluoro-N-methylsulfonyl-4-(oxan-4-ylmethoxy)benzamide?
The InChIKey is QBBOBHHQEXVYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO5S/c1-23(19,20)17-14(18)10-6-11(15)13(7-12(10)16)22-8-9-2-4-21-5-3-9/h6-7,9H,2-5,8H2,1H3,(H,17,18).
What are the key properties of 5-chloro-2-fluoro-N-methylsulfonyl-4-(oxan-4-ylmethoxy)benzamide?
5-chloro-2-fluoro-N-methylsulfonyl-4-(oxan-4-ylmethoxy)benzamide has a molecular weight of 365.81 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-methylsulfonyl-4-(oxan-4-ylmethoxy)benzamide is sourced from PubChem (CID 171343351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).